[(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane

C10H21BrOSi — CID 11780406

IUPAC[(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(Br)=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H21BrOSi/c1-9(11)7-8-12-13(5,6)10(2,3)4/h7H,8H2,1-6H3/b9-7+
InChIKeyUFRIDGHJAAFJSH-VQHVLOKHSA-N
MW265.27 g/mol
LogP4.31
Rot. Bonds3

About [(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane

[(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 11780406) has the molecular formula C10H21BrOSi and a molecular weight of 265.27 g/mol. Its IUPAC name is [(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID11780406
Molecular FormulaC10H21BrOSi
Molecular Weight265.27 g/mol
Exact Mass264.05
IUPAC Name[(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(Br)=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H21BrOSi/c1-9(11)7-8-12-13(5,6)10(2,3)4/h7H,8H2,1-6H3/b9-7+
InChIKeyUFRIDGHJAAFJSH-VQHVLOKHSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane (CID 11780406) is [(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane is C/C(Br)=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is UFRIDGHJAAFJSH-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H21BrOSi/c1-9(11)7-8-12-13(5,6)10(2,3)4/h7H,8H2,1-6H3/b9-7+.
What are the key properties of [(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane?
[(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 265.27 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11780406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).